Sitosterols
TL;DR: Sitosterols (CAS 12002-39-0) is a chemical compound with molecular formula C29H52O and molecular weight 416.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Sitosterols, Cytellin, sitosterin, Fucostanol, Betaprost
| Molecular Formula | C29H52O |
|---|---|
| Molecular Weight | 416.40 g/mol |
| LogP | 8.1047 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.40182 |
| Heavy Atoms | 30 |
| Complexity | 582.91266 |
Chemical Identifiers
| CAS Number | 12002-39-0 |
|---|---|
| SMILES | CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
Product Overview
Sitosterols (CAS 12002-39-0), with molecular formula C29H52O and molecular weight 416.40 g/mol. IUPAC: (3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Sitosterols
Property Insights of Sitosterols
The XLogP value of 8.1047 indicates that Sitosterols is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Sitosterols exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sitosterols has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitosterols?
The CAS number of Sitosterols is 12002-39-0.
What is the molecular formula of Sitosterols?
The molecular formula of Sitosterols is C29H52O.
What is the molecular weight of Sitosterols?
The molecular weight of Sitosterols is 416.40 g/mol.
Where can I buy Sitosterols?
You can request a quote for Sitosterols directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitosterols?
Yes, KEHONG BIO provides custom synthesis services for Sitosterols and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.